CID 10898845

3,3-dimethoxy-2,2-dimethylpropanal

Structural Information

Molecular Formula
C7H14O3
SMILES
CC(C)(C=O)C(OC)OC
InChI
InChI=1S/C7H14O3/c1-7(2,5-8)6(9-3)10-4/h5-6H,1-4H3
InChIKey
CIQFEAIIACKXLQ-UHFFFAOYSA-N
Compound name
3,3-dimethoxy-2,2-dimethylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

146.0943 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 130.4
[M+Na]+ 169.08352 137.7
[M-H]- 145.08702 130.9
[M+NH4]+ 164.12812 152.1
[M+K]+ 185.05746 139.0
[M+H-H2O]+ 129.09156 126.4
[M+HCOO]- 191.09250 152.3
[M+CH3COO]- 205.10815 176.4
[M+Na-2H]- 167.06897 136.6
[M]+ 146.09375 134.7
[M]- 146.09485 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe